CID 87828817
(e)-1-butenesulfenate
Structural Information
- Molecular Formula
- C4H8OS
- SMILES
- CC/C=C/SO
- InChI
- InChI=1S/C4H8OS/c1-2-3-4-6-5/h3-5H,2H2,1H3/b4-3+
- InChIKey
- NGMITSIERXESJI-ONEGZZNKSA-N
- Compound name
- (E)-1-hydroxysulfanylbut-1-ene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 105.03687 | 118.2 |
[M+Na]+ | 127.01881 | 126.3 |
[M-H]- | 103.02231 | 117.7 |
[M+NH4]+ | 122.06341 | 141.4 |
[M+K]+ | 142.99275 | 124.5 |
[M+H-H2O]+ | 87.026850 | 114.3 |
[M+HCOO]- | 149.02779 | 136.1 |
[M+CH3COO]- | 163.04344 | 162.8 |
[M+Na-2H]- | 125.00426 | 122.2 |
[M]+ | 104.02904 | 119.6 |
[M]- | 104.03014 | 119.6 |